==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 25-JAN-94 1BYB . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR B.MIKAMI,M.DEGANO,E.J.HEHRE,J.C.SACCHETTINI . 490 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 41 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 1 0 0 0 2 0 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A S 0 0 112 0, 0.0 402,-0.3 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 156.2 -4.0 66.4 15.6 2 6 A N > - 0 0 99 400,-0.2 3,-2.6 1,-0.1 4,-0.1 -0.220 360.0-118.5 -77.0 149.8 -6.5 63.7 14.1 3 7 A M G > S+ 0 0 43 1,-0.3 3,-2.1 398,-0.2 4,-0.1 0.663 108.3 74.2 -51.4 -30.5 -8.3 60.8 15.8 4 8 A L G > S+ 0 0 27 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.750 81.2 71.5 -57.4 -26.7 -6.5 58.5 13.5 5 9 A L G < S+ 0 0 37 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.607 91.7 58.8 -67.3 -7.7 -3.6 59.1 15.7 6 10 A N G < S+ 0 0 2 -3,-2.1 2,-0.3 398,-0.2 -1,-0.3 0.408 78.1 123.8 -95.5 -3.8 -5.4 57.0 18.3 7 11 A Y < - 0 0 7 -3,-1.8 431,-0.2 431,-0.2 430,-0.1 -0.442 41.3-167.8 -66.2 128.1 -5.5 53.9 16.1 8 12 A V - 0 0 1 429,-2.5 403,-0.1 -2,-0.3 402,-0.1 -0.960 24.4-124.0-113.7 123.9 -4.0 50.7 17.5 9 13 A P - 0 0 0 0, 0.0 403,-1.6 0, 0.0 2,-0.4 -0.341 18.3-147.6 -69.4 151.4 -3.6 47.9 15.0 10 14 A V E -a 412 0A 0 32,-0.2 34,-2.0 401,-0.2 35,-1.1 -0.966 15.0-177.6-122.5 125.3 -5.1 44.5 15.5 11 15 A Y E -ab 413 45A 11 401,-2.2 403,-2.6 -2,-0.4 2,-0.4 -0.816 14.2-144.5-113.9 159.6 -3.5 41.2 14.3 12 16 A V E -ab 414 46A 0 33,-1.4 35,-2.1 -2,-0.3 2,-0.3 -0.982 17.8-123.1-128.7 130.7 -4.9 37.7 14.6 13 17 A M E - b 0 47A 12 401,-1.6 404,-0.9 -2,-0.4 35,-0.2 -0.609 26.1-128.6 -74.4 142.7 -2.8 34.6 15.1 14 18 A L - 0 0 3 33,-2.9 35,-0.1 -2,-0.3 402,-0.1 -0.362 40.6 -78.1 -78.1 162.2 -3.2 31.9 12.6 15 19 A P > - 0 0 39 0, 0.0 3,-1.3 0, 0.0 2,-0.2 -0.182 49.7-105.9 -59.6 145.4 -4.0 28.3 13.6 16 20 A L T 3 S+ 0 0 19 1,-0.3 4,-0.0 2,-0.1 32,-0.0 -0.497 107.9 25.7 -65.9 145.7 -1.1 26.3 15.0 17 21 A G T 3 + 0 0 16 -2,-0.2 -1,-0.3 2,-0.1 9,-0.2 0.709 67.6 141.6 76.1 13.9 -0.1 23.8 12.3 18 22 A V S < S+ 0 0 20 -3,-1.3 8,-1.2 1,-0.2 2,-0.5 0.865 85.6 39.6 -59.2 -29.0 -1.4 25.7 9.2 19 23 A V B S-J 25 0B 1 6,-0.2 6,-0.3 7,-0.1 -1,-0.2 -0.973 103.6-137.4-111.4 124.0 1.8 24.3 7.7 20 24 A N > - 0 0 24 4,-3.1 3,-2.7 -2,-0.5 4,-0.3 -0.202 23.4 -92.0 -86.3-176.3 2.1 20.8 9.0 21 25 A V T 3 S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.2 -4,-0.0 0.649 123.5 60.2 -63.1 -19.8 5.0 18.8 10.3 22 26 A D T 3 S- 0 0 123 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.250 120.8-108.2 -88.7 10.5 5.6 17.5 6.9 23 27 A N S < S+ 0 0 21 -3,-2.7 2,-0.4 1,-0.2 44,-0.2 0.922 75.0 139.6 63.3 44.9 6.2 21.0 5.6 24 28 A V - 0 0 73 -4,-0.3 -4,-3.1 43,-0.1 2,-1.2 -0.978 56.3-135.6-124.1 126.5 2.9 21.0 3.7 25 29 A F B -J 19 0B 26 -2,-0.4 -6,-0.2 -6,-0.3 -7,-0.1 -0.750 32.1-161.6 -81.6 99.7 0.6 23.9 3.6 26 30 A E + 0 0 126 -8,-1.2 -1,-0.2 -2,-1.2 3,-0.1 0.833 60.5 7.7 -57.1 -59.9 -2.5 21.9 4.2 27 31 A D > + 0 0 93 -9,-0.4 4,-2.3 1,-0.1 -1,-0.2 -0.569 53.7 166.3-138.9 81.7 -5.6 23.7 3.2 28 32 A P H > S+ 0 0 53 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.843 81.0 56.4 -61.6 -33.7 -5.1 26.9 1.4 29 33 A D H > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.939 108.2 45.1 -66.0 -49.1 -8.7 27.0 0.4 30 34 A G H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 113.9 49.2 -59.2 -49.1 -10.0 26.8 3.8 31 35 A L H X S+ 0 0 6 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.928 105.0 60.3 -58.4 -41.9 -7.6 29.4 5.1 32 36 A K H X S+ 0 0 72 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.918 102.8 48.9 -52.3 -49.2 -8.4 31.7 2.3 33 37 A E H X S+ 0 0 117 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.920 113.0 49.4 -62.0 -39.0 -12.1 32.0 3.2 34 38 A Q H X S+ 0 0 39 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.951 110.9 48.2 -61.9 -52.6 -11.1 32.6 6.8 35 39 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.856 106.8 57.9 -54.4 -39.2 -8.6 35.4 5.9 36 40 A L H X S+ 0 0 67 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.890 105.1 51.1 -60.0 -39.2 -11.2 37.0 3.7 37 41 A Q H X S+ 0 0 82 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.2 0.907 109.2 50.2 -62.5 -41.5 -13.5 37.3 6.7 38 42 A L H X>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 4,-0.5 0.923 107.2 53.8 -64.4 -41.5 -10.8 38.9 8.7 39 43 A R H ><5S+ 0 0 50 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.926 109.9 48.6 -59.9 -37.7 -10.0 41.5 5.9 40 44 A A H 3<5S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.4 58.3 -76.0 -24.7 -13.7 42.4 5.9 41 45 A A H 3<5S- 0 0 14 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.480 120.4-107.7 -77.4 -13.9 -13.8 42.8 9.7 42 46 A G T <<5 + 0 0 9 -3,-1.1 -32,-0.2 -4,-0.5 402,-0.2 0.510 59.8 163.0 99.4 8.8 -11.0 45.4 9.5 43 47 A V < - 0 0 0 -5,-1.9 -1,-0.2 1,-0.1 -32,-0.2 -0.345 30.7-148.9 -63.2 133.5 -8.1 43.3 10.9 44 48 A D - 0 0 5 -34,-2.0 37,-1.7 1,-0.1 2,-0.3 0.837 62.1 -32.3 -74.6 -37.9 -4.7 44.8 10.1 45 49 A G E -bc 11 81A 0 -35,-1.1 -33,-1.4 35,-0.3 2,-0.3 -0.924 55.6-113.9-168.2-179.2 -2.6 41.6 9.8 46 50 A V E -bc 12 82A 0 35,-2.3 37,-2.3 -35,-0.3 2,-0.4 -0.925 18.7-132.2-133.9 163.8 -2.0 38.1 11.1 47 51 A M E -bc 13 83A 1 -35,-2.1 -33,-2.9 -2,-0.3 2,-0.3 -0.912 23.3-177.7-121.5 141.0 0.7 36.3 13.1 48 52 A V E - c 0 84A 6 35,-2.4 37,-2.8 -2,-0.4 2,-0.4 -0.999 26.1-124.3-144.1 141.0 2.3 33.0 12.3 49 53 A D E - c 0 85A 22 -2,-0.3 2,-0.9 35,-0.2 37,-0.2 -0.685 14.2-155.2 -76.9 133.9 4.9 30.6 13.7 50 54 A V E - c 0 86A 0 35,-2.4 37,-1.2 -2,-0.4 2,-0.4 -0.829 26.0-141.2-106.9 89.0 7.7 29.8 11.4 51 55 A W E >> - c 0 87A 8 -2,-0.9 4,-2.3 1,-0.2 3,-1.4 -0.366 17.2-161.6 -64.4 118.9 8.7 26.5 13.0 52 56 A W H 3> S+ 0 0 0 35,-2.6 4,-2.4 -2,-0.4 -1,-0.2 0.902 93.1 59.1 -59.4 -41.4 12.4 25.7 13.1 53 57 A G H 34 S+ 0 0 6 34,-0.5 -1,-0.3 36,-0.3 52,-0.3 0.702 110.0 40.1 -66.4 -22.2 11.5 22.1 13.6 54 58 A I H X4 S+ 0 0 4 -3,-1.4 3,-0.7 47,-0.1 -1,-0.2 0.860 118.8 45.6 -88.3 -43.2 9.6 21.9 10.3 55 59 A I H 3< S+ 0 0 3 -4,-2.3 9,-1.4 1,-0.2 3,-0.3 0.888 121.2 32.2 -68.2 -49.3 12.1 24.1 8.2 56 60 A E T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 50,-0.2 -0.122 85.3 122.8-104.5 36.7 15.5 22.7 9.2 57 61 A L < + 0 0 75 -3,-0.7 49,-0.6 1,-0.2 48,-0.2 0.910 61.8 55.5 -64.1 -49.3 14.2 19.2 9.7 58 62 A K S S- 0 0 182 4,-0.5 -1,-0.2 -3,-0.3 5,-0.1 0.783 119.7 -52.8 -62.6 -36.9 16.4 17.2 7.3 59 63 A G S > S- 0 0 8 3,-0.4 3,-2.3 -3,-0.1 -1,-0.2 -0.949 82.1 -36.2 171.6 171.9 19.8 18.3 8.6 60 64 A P T 3 S- 0 0 49 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.289 126.2 -1.6 -57.5 131.0 22.0 21.3 9.4 61 65 A K T 3 S+ 0 0 125 1,-0.2 2,-1.2 -5,-0.1 -5,-0.0 0.568 93.8 129.9 58.8 20.9 21.4 24.1 6.9 62 66 A Q < + 0 0 106 -3,-2.3 -4,-0.5 -6,-0.2 -3,-0.4 -0.654 36.2 173.0 -98.2 77.8 18.9 22.0 5.0 63 67 A Y - 0 0 50 -2,-1.2 2,-0.5 -7,-0.1 -7,-0.2 -0.686 22.9-168.0 -90.9 143.5 16.1 24.5 4.9 64 68 A D + 0 0 41 -9,-1.4 4,-0.2 -2,-0.3 3,-0.2 -0.934 13.9 167.4-125.9 107.3 12.9 24.1 2.9 65 69 A W > + 0 0 13 -2,-0.5 4,-1.8 1,-0.1 -1,-0.1 0.330 44.5 104.9 -94.4 1.5 11.0 27.4 2.8 66 70 A R H > S+ 0 0 179 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 77.7 45.0 -60.2 -49.7 8.5 26.4 0.1 67 71 A A H > S+ 0 0 9 -44,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 113.6 51.2 -64.5 -35.6 5.3 25.9 2.0 68 72 A Y H > S+ 0 0 1 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.866 105.8 56.5 -67.7 -32.5 5.8 29.1 4.0 69 73 A R H X S+ 0 0 80 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.952 107.5 48.7 -60.2 -43.6 6.3 30.9 0.7 70 74 A S H X S+ 0 0 64 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.912 112.0 49.3 -62.5 -42.5 2.9 29.7 -0.5 71 75 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.931 109.5 49.7 -61.5 -51.6 1.3 30.8 2.8 72 76 A F H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.902 109.7 54.0 -55.7 -39.1 2.8 34.3 2.7 73 77 A Q H X S+ 0 0 85 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.934 108.0 47.7 -59.3 -49.9 1.6 34.6 -0.8 74 78 A L H X S+ 0 0 15 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.919 111.8 50.8 -57.7 -43.4 -2.0 33.8 0.2 75 79 A V H <>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 3,-0.4 0.941 110.2 50.1 -62.1 -44.5 -1.8 36.3 3.1 76 80 A Q H ><5S+ 0 0 71 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.929 107.2 54.0 -59.9 -42.3 -0.5 38.9 0.8 77 81 A E H 3<5S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 103.8 57.9 -58.5 -31.7 -3.4 38.2 -1.7 78 82 A C T 3<5S- 0 0 7 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.424 116.3-111.7 -85.1 2.1 -5.9 38.7 1.2 79 83 A G T < 5S+ 0 0 38 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.796 73.1 129.6 78.6 27.3 -4.7 42.2 1.9 80 84 A L < - 0 0 5 -5,-1.7 -1,-0.3 -35,-0.0 -35,-0.3 -0.879 50.6-134.1-115.3 152.9 -3.2 41.5 5.3 81 85 A T E -c 45 0A 37 -37,-1.7 -35,-2.3 -2,-0.3 2,-0.4 -0.388 26.0-132.0 -92.6 174.8 0.2 42.2 6.9 82 86 A L E -cd 46 170A 0 87,-2.5 89,-2.9 -37,-0.3 90,-1.1 -0.978 17.3-159.9-141.8 137.7 2.2 39.7 8.7 83 87 A Q E -cd 47 172A 5 -37,-2.3 -35,-2.4 -2,-0.4 2,-0.5 -0.958 25.5-157.0-109.3 115.2 4.1 39.2 12.1 84 88 A A E -cd 48 173A 0 88,-2.5 90,-3.2 -2,-0.5 2,-0.6 -0.872 2.5-151.7-103.0 129.3 6.4 36.3 11.7 85 89 A I E -cd 49 174A 6 -37,-2.8 -35,-2.4 -2,-0.5 2,-1.5 -0.867 12.5-141.8 -96.5 127.2 7.7 34.4 14.7 86 90 A M E -cd 50 175A 0 88,-3.2 90,-1.4 -2,-0.6 2,-1.3 -0.714 28.9-160.9 -80.4 89.2 11.1 32.7 14.5 87 91 A S E +c 51 0A 0 -2,-1.5 -35,-2.6 -37,-1.2 -34,-0.5 -0.648 26.5 165.7 -85.2 97.3 9.8 29.8 16.5 88 92 A F + 0 0 0 -2,-1.3 43,-0.4 -37,-0.2 2,-0.3 -0.016 55.0 80.2 -91.8 24.7 12.8 27.9 17.8 89 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 2,-0.2 -0.844 83.9 -93.7-128.3 169.6 10.8 25.9 20.3 90 94 A Q - 0 0 34 39,-2.2 2,-0.4 -2,-0.3 90,-0.4 -0.567 26.3-140.4 -87.8 147.6 8.5 22.9 20.3 91 95 A C B S+K 101 0C 1 10,-2.6 10,-2.8 -2,-0.2 -1,-0.0 -0.889 73.2 59.2 -99.6 135.7 4.8 23.0 19.8 92 96 A G S S+ 0 0 28 -2,-0.4 -1,-0.1 8,-0.2 4,-0.1 -0.023 80.5 62.0 147.9 -50.7 3.0 20.6 22.1 93 97 A G S S+ 0 0 16 -3,-0.2 97,-0.6 2,-0.1 98,-0.6 0.397 85.2 85.5 -97.1 6.7 3.3 20.8 25.9 94 98 A N S > S- 0 0 19 1,-0.1 3,-2.1 96,-0.1 -2,-0.1 -0.631 94.3 -71.2-106.4 164.8 1.9 24.2 26.6 95 99 A V T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.288 118.1 9.6 -54.7 130.1 -1.6 25.3 27.1 96 100 A G T 3 S+ 0 0 55 1,-0.2 2,-1.9 -4,-0.1 -1,-0.3 0.325 83.1 143.0 88.6 -12.5 -3.6 25.2 23.8 97 101 A D < + 0 0 37 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.0 -0.451 17.5 169.5 -68.2 95.2 -1.0 23.4 21.9 98 102 A I + 0 0 142 -2,-1.9 2,-0.3 -3,-0.1 -1,-0.2 0.370 59.4 50.3 -84.3 -1.1 -3.2 21.1 19.7 99 103 A V S S- 0 0 40 2,-0.0 2,-0.7 -3,-0.0 -82,-0.1 -0.985 78.3-126.2-135.5 147.0 -0.4 19.8 17.4 100 104 A N + 0 0 98 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.852 33.1 163.3 -98.6 122.6 2.9 18.4 18.2 101 105 A I B -K 91 0C 2 -10,-2.8 -10,-2.6 -2,-0.7 -48,-0.2 -0.825 16.0-168.8-134.2 103.4 5.8 20.0 16.5 102 106 A P - 0 0 41 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.270 30.5 -91.4 -83.1 174.2 9.2 19.3 17.9 103 107 A I S S- 0 0 3 25,-0.4 5,-0.1 1,-0.2 -50,-0.1 -0.195 74.0 -53.2 -74.0 172.3 12.6 20.9 17.2 104 108 A P >> - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.224 45.5-132.5 -55.2 135.6 14.7 19.3 14.5 105 109 A Q H 3> S+ 0 0 95 1,-0.3 4,-3.0 -52,-0.3 5,-0.2 0.816 106.1 60.4 -56.2 -34.5 15.3 15.6 14.7 106 110 A W H 3> S+ 0 0 18 -49,-0.6 4,-1.2 -50,-0.2 -1,-0.3 0.860 106.2 46.6 -68.3 -26.5 18.9 16.1 14.1 107 111 A V H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 3,-0.5 0.948 110.3 52.9 -76.3 -38.1 19.1 18.2 17.2 108 112 A L H X S+ 0 0 25 -4,-2.0 4,-0.9 1,-0.3 -2,-0.2 0.887 104.6 58.2 -63.5 -35.3 17.2 15.7 19.2 109 113 A D H >X S+ 0 0 86 -4,-3.0 4,-0.7 1,-0.2 3,-0.7 0.898 103.9 49.4 -63.9 -40.7 19.6 13.1 18.0 110 114 A I H >X S+ 0 0 26 -4,-1.2 4,-1.3 -3,-0.5 3,-0.8 0.888 106.9 57.1 -63.3 -34.3 22.5 15.0 19.5 111 115 A G H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.674 91.6 71.5 -67.4 -21.5 20.5 15.2 22.7 112 116 A E H << S+ 0 0 121 -4,-0.9 -1,-0.3 -3,-0.7 3,-0.2 0.825 112.5 28.3 -67.3 -26.7 20.3 11.5 22.8 113 117 A S H << S+ 0 0 105 -3,-0.8 2,-0.4 -4,-0.7 -2,-0.2 0.640 128.5 40.3-111.8 -7.4 23.8 11.5 23.6 114 118 A N >< + 0 0 31 -4,-1.3 3,-1.0 -5,-0.1 -1,-0.3 -0.819 61.9 178.1-136.6 87.1 24.2 14.8 25.4 115 119 A H G > + 0 0 75 -2,-0.4 3,-1.1 1,-0.2 -4,-0.1 0.544 67.9 80.8 -64.8 -12.9 21.2 15.2 27.5 116 120 A D G 3 + 0 0 31 1,-0.2 92,-0.4 90,-0.1 -1,-0.2 0.325 68.1 80.9 -81.1 8.8 22.5 18.4 28.9 117 121 A I G < S+ 0 0 0 -3,-1.0 15,-2.0 -6,-0.1 2,-0.3 0.536 85.9 75.1 -87.3 -9.3 21.4 20.5 25.9 118 122 A F E < S-L 131 0D 0 -3,-1.1 10,-0.2 13,-0.2 13,-0.1 -0.737 97.0 -95.2-104.1 152.1 17.9 20.6 27.5 119 123 A Y E -L 127 0D 1 8,-0.8 8,-3.0 11,-0.8 2,-0.4 -0.442 49.5-162.4 -58.5 132.9 16.6 22.6 30.4 120 124 A T E -L 126 0D 5 83,-0.3 85,-1.9 6,-0.2 86,-0.4 -0.980 10.0-147.5-129.1 134.0 16.8 20.3 33.5 121 125 A N > - 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0 0 0 -15,-2.0 3,-2.6 -2,-0.4 4,-0.2 -0.161 17.3-124.9 -56.6 138.8 19.1 25.5 27.3 133 137 A V G > S+ 0 0 13 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.736 105.7 80.3 -49.3 -24.2 20.7 28.9 27.4 134 138 A G G 3 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.779 94.1 43.6 -61.0 -25.8 23.7 26.9 28.8 135 139 A V G X S+ 0 0 0 -3,-2.6 3,-1.7 -18,-0.2 11,-1.4 0.336 75.3 113.3-104.8 15.0 24.6 25.8 25.2 136 140 A D T < S+ 0 0 5 -3,-1.7 11,-2.4 1,-0.3 12,-0.4 0.872 95.5 24.0 -48.7 -39.9 24.2 29.2 23.5 137 141 A N T 3 S+ 0 0 92 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.094 93.2 113.1-120.5 25.8 27.9 29.4 22.8 138 142 A E < - 0 0 72 -3,-1.7 2,-1.9 1,-0.1 8,-0.4 -0.853 60.6-143.2-100.5 125.2 28.9 25.7 22.9 139 143 A P + 0 0 83 0, 0.0 4,-0.4 0, 0.0 6,-0.2 -0.290 65.2 116.5 -88.5 56.0 30.1 24.5 19.5 140 144 A I + 0 0 51 -2,-1.9 2,-1.0 -5,-0.2 5,-0.2 0.307 41.4 90.2-103.3 -3.0 28.5 21.1 19.9 141 145 A F B > S-M 144 0E 0 3,-2.8 3,-2.0 -3,-0.3 -1,-0.1 -0.705 124.8 -56.9 -99.5 77.1 25.9 21.1 17.1 142 146 A H T 3 S- 0 0 130 -2,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.913 115.9 -39.2 52.6 45.9 27.9 19.6 14.2 143 147 A G T 3 S+ 0 0 57 -4,-0.4 -1,-0.3 1,-0.3 2,-0.3 0.225 122.9 102.4 95.0 -19.7 30.4 22.5 14.6 144 148 A R B < -M 141 0E 21 -3,-2.0 -3,-2.8 4,-0.0 -1,-0.3 -0.725 63.6-133.0-101.4 156.6 27.8 25.2 15.3 145 149 A T > - 0 0 14 -2,-0.3 4,-2.1 -6,-0.2 -8,-0.2 -0.520 33.9-106.4 -92.6 167.5 26.7 26.8 18.6 146 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.1 -8,-0.4 5,-0.2 0.921 122.1 51.7 -63.7 -40.6 23.1 27.2 19.4 147 151 A I H > S+ 0 0 8 -11,-2.4 4,-2.7 -12,-0.2 -1,-0.2 0.900 107.3 53.1 -63.2 -39.0 23.2 30.9 18.7 148 152 A E H > S+ 0 0 93 -12,-0.4 4,-2.9 1,-0.2 5,-0.3 0.922 106.8 53.9 -61.9 -40.2 24.9 30.3 15.3 149 153 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.950 111.8 43.6 -57.8 -47.0 22.0 27.9 14.4 150 154 A Y H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.891 114.7 50.2 -66.3 -40.6 19.5 30.6 15.2 151 155 A S H X S+ 0 0 3 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.941 109.5 48.3 -63.4 -49.4 21.5 33.2 13.4 152 156 A D H X S+ 0 0 38 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.890 110.1 55.7 -59.2 -35.6 21.9 31.1 10.2 153 157 A Y H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.907 108.8 44.4 -64.2 -45.0 18.2 30.4 10.3 154 158 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.881 111.6 53.6 -72.5 -34.1 17.2 34.0 10.3 155 159 A K H X S+ 0 0 71 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.947 111.2 47.3 -59.3 -48.0 19.8 34.9 7.6 156 160 A S H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.920 111.0 50.7 -60.9 -43.2 18.2 32.2 5.4 157 161 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.930 110.5 50.7 -57.4 -48.9 14.7 33.4 6.1 158 162 A R H < S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.937 114.4 41.7 -57.6 -49.4 15.8 36.9 5.2 159 163 A E H >< S+ 0 0 128 -4,-2.6 3,-1.0 1,-0.2 4,-0.2 0.930 116.9 46.1 -66.7 -45.5 17.3 36.0 1.9 160 164 A N H 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.696 119.3 40.2 -72.5 -19.9 14.6 33.5 0.8 161 165 A M T 3X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 5,-0.3 0.006 78.3 120.2-110.0 17.9 11.7 35.8 1.7 162 166 A S H <> S+ 0 0 55 -3,-1.0 4,-2.7 1,-0.2 5,-0.2 0.848 71.2 54.8 -58.1 -36.2 13.4 38.9 0.4 163 167 A D H > S+ 0 0 64 2,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.933 110.9 44.3 -61.1 -47.6 10.6 39.6 -2.1 164 168 A F H 4>S+ 0 0 5 1,-0.2 5,-2.0 2,-0.2 6,-0.7 0.885 114.3 52.3 -63.9 -36.5 7.9 39.5 0.6 165 169 A L H ><5S+ 0 0 6 -4,-2.7 3,-1.5 1,-0.2 120,-0.3 0.927 109.8 46.1 -67.5 -42.3 10.1 41.7 2.8 166 170 A E H 3<5S+ 0 0 155 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.853 105.0 60.5 -75.6 -18.3 10.7 44.2 0.3 167 171 A S T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.374 113.5-115.2 -85.1 8.1 7.1 44.4 -0.6 168 172 A G T < 5S+ 0 0 38 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.730 78.6 126.2 68.8 25.6 6.2 45.4 3.0 169 173 A L < + 0 0 8 -5,-2.0 -87,-2.5 -88,-0.1 2,-0.7 0.912 61.5 61.5 -77.1 -43.2 4.2 42.3 3.8 170 174 A I E +d 82 0A 1 -6,-0.7 -87,-0.2 -89,-0.2 -1,-0.1 -0.694 58.7 174.1 -87.0 115.0 6.2 41.4 6.9 171 175 A I E + 0 0 23 -89,-2.9 116,-1.4 -2,-0.7 2,-0.3 0.791 61.4 15.4 -94.7 -27.1 5.9 44.0 9.5 172 176 A D E -de 83 287A 10 -90,-1.1 -88,-2.5 114,-0.2 2,-0.6 -0.997 55.4-144.2-146.6 154.1 7.6 42.5 12.4 173 177 A I E -de 84 288A 0 114,-2.6 116,-2.0 -2,-0.3 2,-0.6 -0.977 15.9-156.7-113.5 114.1 9.9 39.7 13.3 174 178 A E E -de 85 289A 2 -90,-3.2 -88,-3.2 -2,-0.6 2,-0.9 -0.803 14.4-143.7 -91.8 116.4 9.2 38.1 16.7 175 179 A V E -d 86 0A 3 114,-3.1 116,-0.4 -2,-0.6 2,-0.2 -0.733 9.8-134.7 -90.5 114.7 12.3 36.4 17.9 176 180 A G + 0 0 0 -90,-1.4 6,-0.2 -2,-0.9 4,-0.1 -0.418 32.0 167.0 -63.4 129.3 11.7 33.2 19.7 177 181 A L - 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